Solution for the Trivial Crossing Problem in Surface Hopping Simulations by the Classification on Excited States

In this article, we study excited-state relaxation dynamics in single conjugated polymer chains with surface hopping simulations and propose a solution for the encountered “trivial crossing problem”. By analyzing the transition density matrices, we find that all excited states can be divided into two types. The surface hopping simulations show that the two types of excited states do not interact each other (the nonadiabatic couplings between them are negligible), indicating that the trivial crossings only occur between different types of excited state. The two types of excited state separately span two uncoupled subspaces, and we can let the system evolve only in one of the subspaces. In such a way, the trivial crossings between different types of excited states are completely eliminated. Moreover, this method greatly reduces the computational cost of surface hopping simulations

Data_Sheet_1_Relationship between shift work, night work, and subsequent dementia: A systematic evaluation and meta-analysis.docx

BackgroundThe association between shift work, night work, and the risk of dementia are conflicting in the literature.ObjectivesThis study was performed to obtain evidence on the potential relationship between shift work, night work, and dementia.MethodsTo investigate the link between shift work, night work, and dementia, we systematically searched PubMed, Embase, and Web of Science from inception to January 1, 2022. The eligibility of the retrieved records and extracted data were independently reviewed by two researchers. The Preferred Reporting Items for Systematic Evaluations and Meta-Analyses (PRISMA) statement was followed. STATA 16.0 was used to conduct the meta-analysis.ResultsA total of four studies involving 103,104 participants were included in this meta-analysis. Pooled results indicated that night shift workers had a 12% increased risk of dementia compared to subjects without night work (HR = 1.12, 95% CI 1.03–1.23, P = 0.094). Shift work was not significantly associated with dementia risk (HR: 1.09, 95% CI: 0.83–1.43, P = 0.546), but the effect of shift work on dementia risk appeared to increase with age, with a correlation observed among workers older than 50 years (HR = 1.31; 95% CI: 1.03–1.68, P = 0.030).ConclusionThe data presented in our study suggest that night work may be a risk factor for dementia. More prospective studies with objective exposure measurements are required to further confirm this result.Systematic review registrationhttps://doi.org/10.37766/inplasy2022.6.0079, identifier: INPLASY202260079.</p

The Association of 5-HT2A, 5-HTT, and LEPR Polymorphisms with Obstructive Sleep Apnea Syndrome: A Systematic Review and Meta-Analysis

<div><p>Objective</p><p>A consensus has not been reached regarding the association of several different gene polymorphisms and susceptibility to obstructive sleep apnea syndrome (OSAS). We performed a meta-analysis to better evaluate the associations between 5-HT2A, 5-HTT, and LEPR polymorphisms, and OSAS.</p><p>Method</p><p>5-HT2A, 5-HTT, and LEPR polymorphisms and OSAS were identified in PubMed and EMBASE. The pooled odd rates (ORs) with 95%CIs were estimated using a fixed-effect or random-effect models. The associations between these polymorphisms and OSAS risk were assessed using dominant, recessive and additive models.</p><p>Results</p><p>Twelve publications were included in this study. The -1438 “A” allele of 5-HT2A was identified as a candidate genetic risk factor for OSAS (OR: 2.33, 95%CI 1.49–3.66). Individuals carrying the -1438 “G” allele had a nearly 70% reduced risk of OSAS when compared with AA homozygotes (OR: 0.30, 95%CI 0.23–0.40). There was no significant association between 5-HT2A 102C/T and OSAS risk, using any model. The “S” allele of 5-HTTLPR conferred protection against OSAS (OR: 0.80, 95%CI 0.67–0.95), while the “10” allele of 5-HTTVNTR contributed to the risk of OSAS (OR: 2.08, 95%CI: 1.58–2.73). The “GG” genotype of LEPR was associated with a reduced risk of OSAS (OR: 0.39, 95%CI 0.17–0.88).</p><p>Conclusion</p><p>The meta-analysis demonstrated that 5-HTR-1438 “A” and 5-HTTVNTR “10” alleles were significantly associated with OSAS. The “S” allele of 5-HTTLPR and the “GG” genotype of LEPR conferred protection against OSAS. Further studies, such as Genome-Wide Association study (GWAS), should be conducted in a large cohort of OSAS patients to confirm our findings.</p></div

Characteristic of the included studies about the association between 5-HT2A polymorphism and OSAS risk.

<p>NS: None Stated.</p><p>⊢: Indicated age of OSAS patients group in these studies.</p><p><b>⊤</b>: Indicated age of Control group in these studies.</p

Lewis Base-Catalyzed One-Pot Cascade Sequences of <i>O</i>‑Alkenyl-Substituted Cyanohydrins: Diastereoselective Synthesis of Multisubstituted Dihydrofurans

The first example of the diastereoselective construction of polysubstituted 2,3-dihydrofurans incorporating contiguous quaternary and tertiary carbon centers via a Lewis base-catalyzed one-pot cascade sequence is described. The diversity and complexity of the final products can be efficiently constructed with high diastereoselectivities via this catalytic multistep process under mild reaction conditions

Forest plot of the association between 5-HT2A-1438(A <i>vs</i>. G), 5-HTT-LPR(S <i>vs</i>. L), 5-HTT-VNTR (10 <i>vs</i>. 12), LEPR-Gln223Arg (GG <i>vs</i>. AA) and OSAS risk in the overall population (a: Meta-analysis with a random-effects model; b, c, d: Meta-analysis with a fixed-effects model).

<p>Forest plot of the association between 5-HT2A-1438(A <i>vs</i>. G), 5-HTT-LPR(S <i>vs</i>. L), 5-HTT-VNTR (10 <i>vs</i>. 12), LEPR-Gln223Arg (GG <i>vs</i>. AA) and OSAS risk in the overall population (a: Meta-analysis with a random-effects model; b, c, d: Meta-analysis with a fixed-effects model).</p

Microwave Influence on Different M–O Bonds During MFI-Type Heteroatom (M) Zeolite Preparation

A facile and fast microwave-assisted approach without any other pre/post-treatment has been proposed to hydrothermally synthesize six kinds of MFI-type heteroatom (Mn, Ga, Ti, Sn, Cr, Zr) zeolites. By comparing with oven heating mode, it is found that microwave field displays a positive effect on the introduction of partial heteroatoms in the zeolite framework. Moreover, differing from the conventional heating, microwave irradiation displays different influences on the different heteroatom zeolites because different heteroatoms cause different polarities and wave-absorption abilities of M–O bonds under microwave irradiation. Furthermore, this positive effect of microwave is embodied not only on heteroatom zeolite synthesis and heteroatom state in zeolite framework but also the resultant catalytic performance. This finding provides an easy route for the synthesis of novel heteroatom zeolite being difficult to prepare by conventional mode, along with a new direction for the exploration of microwave effect

Characteristic of the included studies about the associations between 5-HTT, LEPR polymorphisms and OSAS risk.

<p>NS: None Stated.</p><p>⊢: Indicated age of OSAS patients group in these studies.</p><p><b>⊤</b>: Indicated age of Control group in these studies.</p

Meta-analysis of associations between 5-HT2A, 5-HTT, LEPR polymorphisms and OSAS in the additive, dominant and recessive Models.

<p>Meta-analysis of associations between 5-HT2A, 5-HTT, LEPR polymorphisms and OSAS in the additive, dominant and recessive Models.</p

The flowchart showing articles identification, inclusion and exclusion.

<p>The flowchart showing articles identification, inclusion and exclusion.</p